(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3546-m3547 [ doi:10.1107/S1600536806049786 ]

Bis[8-(4-pyridylsulfanylmethyl-N)quinoline]silver(I) trifluoromethanesulfonate

R.-F. Song and Y.-H. Wang

Online 30 November 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
Disorder in solvent or counterion
R factor = 0.048
wR factor = 0.100
Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.83      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S2     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C16     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      33.00 Perc.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            N1  -AG1 -N1  -C1   -148.40  0.30   2.654   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          2     
            N1  -AG1 -N1  -C5     33.30  0.30   2.654   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         93     
            C16 -C16 -F2  -O2     40.00 18.00   2.656   1.555   1.555   2.656  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         98     
            C16 -C16 -F2  -S2     42.00 18.00   2.656   1.555   1.555   2.656  
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.41 Ratio
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      27.20 Deg. 
              C16  -S2   -C16     2.656   1.555   1.555                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      35.00 Deg. 
              O2   -S2   -F2      1.555   1.555   2.656                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.30 Deg. 
              C16  -S2   -F2      2.656   1.555   2.656                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      33.71 Deg. 
              S2   -O1   -S2      2.656   1.555   1.555                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      44.00 Deg. 
              F2   -O2   -C16     2.656   1.555   2.656                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      27.03 Deg. 
              S2   -C16  -S2      2.656   1.555   1.555                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      36.70 Deg. 
              F2   -C16  -O2      1.555   1.555   2.656                        
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      35.70 Deg. 
              C16  -F1   -C16     2.656   1.555   1.555                        
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C30 H24 Ag N4 S2                                                 

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.833
            Tmax scaled      0.833 Tmin scaled      0.742
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  18 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
  10 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check